N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide

C22H17F3N2O5S — CID 55902221

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)Nc1ccccc1
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)33(30,31)19-11-9-15(10-12-19)21(29)27-17-7-4-8-18(13-17)32-14-20(28)26-16-5-2-1-3-6-16/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeyACWJDEQTALAVDG-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.25
Rot. Bonds7

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55902221) has the molecular formula C22H17F3N2O5S and a molecular weight of 478.45 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55902221
Molecular FormulaC22H17F3N2O5S
Molecular Weight478.45 g/mol
Exact Mass478.08
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(COc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)Nc1ccccc1
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)33(30,31)19-11-9-15(10-12-19)21(29)27-17-7-4-8-18(13-17)32-14-20(28)26-16-5-2-1-3-6-16/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeyACWJDEQTALAVDG-UHFFFAOYSA-N
XLogP4.25
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-pyridin-4-yl-2-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]acetamide
CID 54519091
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide (CID 55902221) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide is O=C(COc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is ACWJDEQTALAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O5S/c23-22(24,25)33(30,31)19-11-9-15(10-12-19)21(29)27-17-7-4-8-18(13-17)32-14-20(28)26-16-5-2-1-3-6-16/h1-13H,14H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 478.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55902221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).